SC27-1953 Screening compound: N-butyl-N-ethyl-2-(3-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC27-1953 Screening compound: N-butyl-N-ethyl-2-(3-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC27-1953 Screening compound: N-butyl-N-ethyl-2-(3-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC27-1953
N-butyl-N-ethyl-2-(3-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SC27-1953

Molecular Formula

C20H27FN4O2 (C20 H27 FN4 O2)

Compound Name

N-butyl-N-ethyl-2-(3-fluorobenzyl)-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

N-butyl-N-ethyl-2-[(3-fluorophenyl)methyl]-3-oxo-2H3H5H6H7H8H-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

CCCCN(CC)C(C(CCCN12)C2=NN(Cc2cccc(F)c2)C1=O)=O

InChI

InChI=1S/C20H27FN4O2/c1-3-5-11-23(4-2)19(26)17-10-7-12-24-18(17)22-25(20(24)27)14-15-8-6-9-16(21)13-15/h6,8-9,13,17H,3-5,7,10-12,14H2,1-2H3/t17-/m1/s1

InChI Key

CDPCBGRQTBTFDG-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.61

Polar Surface Area

48.391

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with SC27-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC27-1953?
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What is the minimum amount of SC27-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC27-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC27-1953
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SC27-1953 available by request